N'-hydroxy-2-(thian-3-ylamino)propanimidamide

C8H17N3OS — CID 104870628

IUPACN'-hydroxy-2-(thian-3-ylamino)propanimidamide
SMILESCC(NC1CCCSC1)C(N)=NO
InChIInChI=1S/C8H17N3OS/c1-6(8(9)11-12)10-7-3-2-4-13-5-7/h6-7,10,12H,2-5H2,1H3,(H2,9,11)
InChIKeyDBLMLSZIKCBOIU-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.61
Rot. Bonds3

About N'-hydroxy-2-(thian-3-ylamino)propanimidamide

N'-hydroxy-2-(thian-3-ylamino)propanimidamide (PubChem CID 104870628) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is N'-hydroxy-2-(thian-3-ylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(thian-3-ylamino)propanimidamide
PubChem CID104870628
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC NameN'-hydroxy-2-(thian-3-ylamino)propanimidamide
SMILESCC(NC1CCCSC1)C(N)=NO
InChIInChI=1S/C8H17N3OS/c1-6(8(9)11-12)10-7-3-2-4-13-5-7/h6-7,10,12H,2-5H2,1H3,(H2,9,11)
InChIKeyDBLMLSZIKCBOIU-UHFFFAOYSA-N
XLogP0.61
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-3-(3-methylthiomorpholin-4-yl)butanimidamide
CID 64040784
N'-hydroxy-2-(3-methylthiomorpholin-4-yl)butanimidamide
CID 64040981
N'-hydroxy-2-(3-methylthiomorpholin-4-yl)propanimidamide
CID 64040984
2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypropanimidamide
CID 64119362
N'-hydroxy-2-thiomorpholin-4-ylbutanimidamide
CID 76915560
N'-hydroxy-2-[methyl(thiolan-3-yl)amino]butanimidamide
CID 76915583
N'-hydroxy-3-(3-methylthiomorpholin-4-yl)pentanimidamide
CID 77015815
N'-hydroxy-3-(3-methylthiomorpholin-4-yl)butanimidamide
CID 77015829
N'-hydroxy-4-(3-methylthiomorpholin-4-yl)butanimidamide
CID 77015832
N'-hydroxy-5-(3-methylthiomorpholin-4-yl)pentanimidamide
CID 77015836
N'-hydroxy-2-(3-methylthiomorpholin-4-yl)butanimidamide
CID 77015839
N'-hydroxy-2-(3-methylthiomorpholin-4-yl)propanimidamide
CID 77015842

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(thian-3-ylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-(thian-3-ylamino)propanimidamide (CID 104870628) is N'-hydroxy-2-(thian-3-ylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(thian-3-ylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(thian-3-ylamino)propanimidamide is CC(NC1CCCSC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(thian-3-ylamino)propanimidamide?
The InChIKey is DBLMLSZIKCBOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-6(8(9)11-12)10-7-3-2-4-13-5-7/h6-7,10,12H,2-5H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-(thian-3-ylamino)propanimidamide?
N'-hydroxy-2-(thian-3-ylamino)propanimidamide has a molecular weight of 203.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(thian-3-ylamino)propanimidamide is sourced from PubChem (CID 104870628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).